2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one

C10H12O2 — CID 14950473

IUPAC2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
SMILESCCc1cc(=O)c2c(o1)CCC2
InChIInChI=1S/C10H12O2/c1-2-7-6-9(11)8-4-3-5-10(8)12-7/h6H,2-5H2,1H3
InChIKeyQUJQEDGGFKFWAR-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.69
Rot. Bonds1

About 2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one

2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one (PubChem CID 14950473) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one.

Molecular Properties

Compound Name2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
PubChem CID14950473
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one
SMILESCCc1cc(=O)c2c(o1)CCC2
InChIInChI=1S/C10H12O2/c1-2-7-6-9(11)8-4-3-5-10(8)12-7/h6H,2-5H2,1H3
InChIKeyQUJQEDGGFKFWAR-UHFFFAOYSA-N
XLogP1.69
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
The IUPAC name of 2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one (CID 14950473) is 2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one.
What is the SMILES notation for 2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
The canonical SMILES for 2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one is CCc1cc(=O)c2c(o1)CCC2.
What is the InChIKey of 2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
The InChIKey is QUJQEDGGFKFWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-2-7-6-9(11)8-4-3-5-10(8)12-7/h6H,2-5H2,1H3.
What are the key properties of 2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one?
2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one has a molecular weight of 164.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7-dihydro-5H-cyclopenta[b]pyran-4-one is sourced from PubChem (CID 14950473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).